N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-N-methyl-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)C[NH+]2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)C[NH+]2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C17H26N4O2S/c1-19(11-16(22)18-15-2-3-15)17(23)12-21-7-5-20(6-8-21)10-14-4-9-24-13-14/h4,9,13,15H,2-3,5-8,10-12H2,1H3,(H,18,22)/p+1